/* LJ non-bonded parameters - accessed through texture memory */
//! nonbonded parameter table with 6*C6/12*C12 pairs per atom type-pair, ntype^2 elements
- DeviceBuffer<Float2> nbfp;
+ DeviceBuffer<Float2> nbfp{};
//! texture object bound to nbfp
DeviceTexture nbfp_texobj;
//! nonbonded parameter table per atom type, ntype elements
- DeviceBuffer<Float2> nbfp_comb;
+ DeviceBuffer<Float2> nbfp_comb{};
//! texture object bound to nbfp_comb
DeviceTexture nbfp_comb_texobj;
//! table scale/spacing
float coulomb_tab_scale;
//! pointer to the table in the device memory
- DeviceBuffer<float> coulomb_tab;
+ DeviceBuffer<float> coulomb_tab{};
//! texture object bound to coulomb_tab
DeviceTexture coulomb_tab_texobj;
};
GMX_RELEASE_ASSERT(ic.coulombEwaldTables, "Need valid Coulomb Ewald correction tables");
init_ewald_coulomb_force_table(*ic.coulombEwaldTables, nbp, deviceContext);
}
- else
- {
- // Need to initialize for OpenCL, since it is unconditionally used as a kernel argument.
- allocateDeviceBuffer(&nbp->coulomb_tab, 1, deviceContext);
- }
/* set up LJ parameter lookup table */
if (!useLjCombRule(nbp->vdwType))
numTypes * numTypes,
deviceContext);
}
- else
- {
- // Need to initialize for OpenCL, since it is unconditionally used as a kernel argument.
- allocateDeviceBuffer(&nbp->nbfp, 1, deviceContext);
- }
/* set up LJ-PME parameter lookup table */
if (ic.vdwtype == VanDerWaalsType::Pme)
numTypes,
deviceContext);
}
- else
- {
- // Need to initialize for OpenCL, since it is unconditionally used as a kernel argument.
- allocateDeviceBuffer(&nbp->nbfp_comb, 1, deviceContext);
- }
}
NbnxmGpu* gpu_init(const gmx::DeviceStreamManager& deviceStreamManager,